SCHEMBL4312428

SCHEMBL4312428

COc1ccc(C#N)c(C(c2ccccc2)C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
NOS2 P35228 2/20 0.46
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
PBRM1 Q86U86 1/20 0.40
AR P10275 5/20 0.39
PGR P06401 2/20 0.39
ALOX5AP P20292 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAOB P27338 3/20 0.36
MAOA P21397 1/20 0.36
PLK1 P53350 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4306375 0.80 TYR (0.40) ARPGRMAOBMAOA
SCHEMBL19833573 0.74 KDM4E (0.46) CYP2D6SLC6A2SLC6A4NOS2GAA
SCHEMBL16957003 0.71 KDM4E (0.43) CYP2D6SLC6A2SLC6A4NOS2GAA
SCHEMBL16957199 0.70 KDM4E (0.43) CYP2D6SLC6A2SLC6A4NOS2GAA
SCHEMBL5650789 0.69 NOS2 (0.55) CYP2D6SLC6A2SLC6A4NOS2GAA
SCHEMBL22867737 0.68 AR (0.51) CYP2D6SLC6A2SLC6A4NOS2GAA
Hydrochloric Acid SCHEMBL5653010 0.68 NOS2 (0.54) CYP2D6SLC6A2SLC6A4NOS2GAA
SCHEMBL14536490 0.68 CYP1A2 (0.36) CYP2D6SLC6A2SLC6A4NOS2AR
SCHEMBL9560109 0.68 MAOB (0.57) GAAPOLBARPGRALDH1A1
SCHEMBL25564583 0.67 AR (0.55) GAAARPGRALDH1A1MAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
WO-2007056210-A2 DIPHENYLMETHANE DERIVATIVES AS INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS MERCK & CO., INC. (US) 2007-05-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090258885-A1 Diphenylmethane Derivatives as Inhibitors of Leukotriene Biosynthesis LTC4S, LTA4H, ALOX5 CYP2D6 756/4885SLC6A2 4854/4885SLC6A4 4784/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.